3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione

C12H20N2O2 — CID 5273849

IUPAC3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyMSHPUFKUWHKRJN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.90
Rot. Bonds2

About 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione

3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 5273849) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID5273849
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16)
InChIKeyMSHPUFKUWHKRJN-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione (CID 5273849) is 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is MSHPUFKUWHKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione?
3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 5273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).